SCHEMBL3963542

SCHEMBL3963542

C#CCN1C(=O)CNC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HDAC6 Q9UBN7 7/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC8 Q9BY41 3/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
RIN1 Q13671 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AMY1A P0DUB6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18754465 0.90 TSHR (0.44) TSHRHDAC6HDAC1HDAC8GSK3A
SCHEMBL31589839 0.79 TSHR (0.46) TSHRHDAC6HDAC1HDAC8GSK3A
SCHEMBL3968679 0.76 TSHR (0.43) TSHRHDAC6HDAC1HDAC8GSK3A
SCHEMBL8589410 0.75 TSHR (0.46) TSHRHDAC6HDAC1HDAC8GSK3A
SCHEMBL8442458 0.75 TSHR (0.46) TSHRHDAC6HDAC1HDAC8GSK3A
SCHEMBL17160685 0.75 TSHR (0.42) TSHRHDAC6HDAC1HDAC8GSK3A
SCHEMBL2411658 0.74 TSHR (0.48) TSHRHDAC6HDAC1HDAC8GSK3A
SCHEMBL11726006 0.72 CHRM2 (0.48) TSHRHDAC6HDAC1HDAC8MAOA
SCHEMBL16116451 0.72
SCHEMBL8588869 0.71 CHRM2 (0.62) LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852029-A Aza spiro compounds acting on the cholinergic system with muscarinic agonist activity ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1998-12-22 US claimed
JP-5255271-A None JP disclosed
EP-2677318-B1 LABELING AGENT FOR POST-TRANSLATIONAL MODIFICATION ANALYSIS OF SERINE AND THREONINE CELLSEED INC (JP) 2016-10-05 EP disclosed
US-20140024124-A1 LABELING AGENT FOR ANALYZING POST-TRANSLATIONAL MODIFICATIONS OF SERINE AND THREONINE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2014-01-23 US disclosed
EP-2677318-A1 LABELING AGENT FOR POST-TRANSLATIONAL MODIFICATION ANALYSIS OF SERINE AND THREONINE CellSeed Inc. (JP) 2013-12-25 EP disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 EP disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
EP-0560581-B1 Process for producing 3-hydroxymethyl-1-propargyl-imidazolidine-2,4-dione SUMITOMO CHEMICAL CO (JP) 2000-06-07 EP disclosed
JP-H05255271-A PRODUCTION OF 3-HYDROXYMETHYL-1-PROPARGYLIMIDAZOLIDINE-2,4-DIONE SUMITOMO CHEM CO LTD 1993-10-05 JP disclosed
EP-0440670-A1 HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1991-08-14 EP disclosed
EP-0285270-A1 A method for producing 1-propargyl-2,4-dioxoimidazolidine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-10-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A TSHR 107/4885HDAC6 2142/4885HDAC1 1932/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.